ChemFOnt: Showing chemical card for Glycyl-prolyl-glutamic acid (CFc000232360)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:01:28 UTC

Chemfont ID

CFc000232360

Molecule Identification

Common Name

Glycyl-prolyl-glutamic acid

Definition

Glycyl-prolyl-glutamic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Glycyl-prolyl-glutamic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Glycyl-prolyl-glutamate	Generator

Chemical Formula

C₁₂H₁₉N₃O₆

Average Molecular Weight

301.299

Monoisotopic Molecular Weight

301.127385344

IUPAC Name

2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}pentanedioic acid

Traditional Name

2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}pentanedioic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)N1CCCC1C(=O)NC(CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)

InChI Key

JJGBXTYGTKWGAT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Glutamic acid or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Pyrrolidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Organic oxygen compound
Primary aliphatic amine
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Organooxygen compound
Amine
Primary amine
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	14.7 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-4.9	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	3.2	ChemAxon
pKa (Strongest Basic)	7.83	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	150.03 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	69.08 m³·mol⁻¹	ChemAxon
Polarizability	28.81 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0252832

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11195206

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15949634

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glycyl-prolyl-glutamic acid (CFc000232360)

MOL for CFc000232360 (Glycyl-prolyl-glutamic acid)

3D MOL for CFc000232360 (Glycyl-prolyl-glutamic acid)

3D SDF for CFc000232360 (Glycyl-prolyl-glutamic acid)

3D-SDF for CFc000232360 (Glycyl-prolyl-glutamic acid)

PDB for CFc000232360 (Glycyl-prolyl-glutamic acid)

3D PDB for CFc000232360 (Glycyl-prolyl-glutamic acid)

SMILES for CFc000232360 (Glycyl-prolyl-glutamic acid)

INCHI for CFc000232360 (Glycyl-prolyl-glutamic acid)

Structure for CFc000232360 (Glycyl-prolyl-glutamic acid)

3D Structure for CFc000232360 (Glycyl-prolyl-glutamic acid)